(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine

C20H37N — CID 89014705

IUPAC(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine
SMILESC=C(C)C(/C=C\C(CC(C)CCC(C)/C=C\C)NC)CC
InChIInChI=1S/C20H37N/c1-8-10-17(5)11-12-18(6)15-20(21-7)14-13-19(9-2)16(3)4/h8,10,13-14,17-21H,3,9,11-12,15H2,1-2,4-7H3/b10-8-,14-13-
InChIKeyXHQKCNQMVOBZCY-URCZFJKLSA-N
MW291.52 g/mol
LogP5.75
Rot. Bonds11

About (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine

(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine (PubChem CID 89014705) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine.

Molecular Properties

Compound Name(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine
PubChem CID89014705
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine
SMILESC=C(C)C(/C=C\C(CC(C)CCC(C)/C=C\C)NC)CC
InChIInChI=1S/C20H37N/c1-8-10-17(5)11-12-18(6)15-20(21-7)14-13-19(9-2)16(3)4/h8,10,13-14,17-21H,3,9,11-12,15H2,1-2,4-7H3/b10-8-,14-13-
InChIKeyXHQKCNQMVOBZCY-URCZFJKLSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine?
The IUPAC name of (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine (CID 89014705) is (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine.
What is the SMILES notation for (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine?
The canonical SMILES for (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine is C=C(C)C(/C=C\C(CC(C)CCC(C)/C=C\C)NC)CC.
What is the InChIKey of (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine?
The InChIKey is XHQKCNQMVOBZCY-URCZFJKLSA-N. The full InChI is InChI=1S/C20H37N/c1-8-10-17(5)11-12-18(6)15-20(21-7)14-13-19(9-2)16(3)4/h8,10,13-14,17-21H,3,9,11-12,15H2,1-2,4-7H3/b10-8-,14-13-.
What are the key properties of (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine?
(4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine has a molecular weight of 291.52 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,12Z)-3-ethyl-N,2,8,11-tetramethyltetradeca-1,4,12-trien-6-amine is sourced from PubChem (CID 89014705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).